ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate

C18H20BrNO4S — CID 4984042

IUPACethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2CC)cc1
InChIInChI=1S/C18H20BrNO4S/c1-3-14-12-15(19)7-10-17(14)25(22,23)20-16-8-5-13(6-9-16)11-18(21)24-4-2/h5-10,12,20H,3-4,11H2,1-2H3
InChIKeyCYRDJQLRFJBVMU-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.92
Rot. Bonds7

About ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate

ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate (PubChem CID 4984042) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
PubChem CID4984042
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Nameethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2CC)cc1
InChIInChI=1S/C18H20BrNO4S/c1-3-14-12-15(19)7-10-17(14)25(22,23)20-16-8-5-13(6-9-16)11-18(21)24-4-2/h5-10,12,20H,3-4,11H2,1-2H3
InChIKeyCYRDJQLRFJBVMU-UHFFFAOYSA-N
XLogP3.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
CID 2416586
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
CID 5011589
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
ethyl 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3287288
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]phenyl]acetate
CID 19032738
4-bromo-N-(4-butoxyphenyl)-2-methylbenzenesulfonamide
CID 2840140
5-bromo-2-[(4-butylphenyl)sulfamoyl]benzoic acid
CID 75479260
methyl 5-bromo-2-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 55353268
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate (CID 4984042) is ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2CC)cc1.
What is the InChIKey of ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate?
The InChIKey is CYRDJQLRFJBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-3-14-12-15(19)7-10-17(14)25(22,23)20-16-8-5-13(6-9-16)11-18(21)24-4-2/h5-10,12,20H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate?
ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate has a molecular weight of 426.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 4984042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).